REMARK Name = LIG000358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.793 -1.993 -2.013 0.00 0.00 +0.061 A ATOM 2 C LIG 1 0.061 -1.010 -1.549 0.00 0.00 +0.072 A ATOM 3 C LIG 1 0.893 -0.962 -0.353 0.00 0.00 +0.256 C ATOM 4 N LIG 1 1.483 0.271 -0.327 0.00 0.00 -0.222 N ATOM 5 C LIG 1 1.179 0.990 -1.451 0.00 0.00 +0.255 C ATOM 6 O LIG 1 1.589 2.079 -1.801 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.003 -1.888 0.430 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 0.241 0.180 -2.227 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -0.406 0.451 -3.417 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.268 -0.532 -3.913 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -1.464 -1.742 -3.213 0.00 0.00 +0.025 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 2.494 0.640 0.652 0.00 0.00 +0.171 C ATOM 13 C LIG 1 3.884 0.428 0.044 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.110 -0.340 -0.890 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 4.913 1.107 0.657 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.834 0.960 0.267 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 4.824 2.062 1.640 0.00 0.00 +0.219 C ATOM 18 O LIG 1 5.826 2.636 2.057 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 3.450 2.315 2.217 0.00 0.00 +0.098 C ATOM 20 C LIG 1 2.362 2.064 1.184 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -1.042 -3.179 -1.255 0.00 0.00 -0.216 N ATOM 22 H LIG 1 -0.305 -3.437 -0.587 0.00 0.00 +0.174 HD BRANCH 21 23 ATOM 23 S LIG 1 -2.561 -3.330 -0.508 0.00 0.00 +0.072 S ATOM 24 O LIG 1 -3.590 -3.285 -1.526 0.00 0.00 -0.150 OA ATOM 25 O LIG 1 -2.465 -4.439 0.416 0.00 0.00 -0.150 OA BRANCH 23 30 ATOM 26 C LIG 1 -2.877 1.785 2.753 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -2.786 0.528 1.938 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -3.458 0.430 0.711 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.405 -0.749 -0.034 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -2.673 -1.835 0.451 0.00 0.00 +0.109 A ATOM 31 C LIG 1 -2.029 -1.766 1.689 0.00 0.00 +0.029 A ATOM 32 C LIG 1 -2.087 -0.584 2.428 0.00 0.00 +0.005 A ENDBRANCH 23 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 4